N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H12F3NO3S — CID 3692443

IUPACN-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H12F3NO3S/c1-9-5-6-11(8-13(9)19)18-22(20,21)12-4-2-3-10(7-12)14(15,16)17/h2-8,18-19H,1H3
InChIKeySPWFNVIVTBWDHB-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.52
Rot. Bonds3

About N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3692443) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3692443
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H12F3NO3S/c1-9-5-6-11(8-13(9)19)18-22(20,21)12-4-2-3-10(7-12)14(15,16)17/h2-8,18-19H,1H3
InChIKeySPWFNVIVTBWDHB-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3692443) is N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SPWFNVIVTBWDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-9-5-6-11(8-13(9)19)18-22(20,21)12-4-2-3-10(7-12)14(15,16)17/h2-8,18-19H,1H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3692443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).